6-methoxy-2-[3-[[(5Z)-4-methyl-5-pyrrol-2-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]propyl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: 6-methoxy-2-[3-[[(5Z)-4-methyl-5-pyrrol-2-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]propyl]-3,4-dihydro-1H-isoquinoline Openeye Name: 6-methoxy-2-[3-[[(5Z)-4-methyl-5-pyrrol-2-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]propyl]-3,4-dihydro-1H-isoquinoline CAS Name: 6-methoxy-2-[3-[[(5Z)-4-methyl-5-(2-pyrrolylidene)-1H-1,2,4-triazol-3-yl]thio]propyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 6-methoxy-2-[3-[[(5Z)-4-methyl-5-pyrrol-2-ylidene-1H-1,2,4-triazol-3-yl]sulfanyl]propyl]-3,4-dihydro-1H-isoquinoline Traditional Name: 6-methoxy-2-[3-[[(5Z)-4-methyl-5-pyrrol-2-ylidene-1H-1,2,4-triazol-3-yl]thio]propyl]-3,4-dihydro-1H-isoquinoline Formula: C20H25N5OS MolecularWeight: 383.5104

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C2C=CC=N2)NN=C1SCCCN3CCC4=C(C3)C=CC(=C4)OC

Isomeric SMILES

CN1/C(=C/2\C=CC=N2)/NN=C1SCCCN3CCC4=C(C3)C=CC(=C4)OC

InChI

InChI=1S/C20H25N5OS/c1-24-19(18-5-3-9-21-18)22-23-20(24)27-12-4-10-25-11-8-15-13-17(26-2)7-6-16(15)14-25/h3,5-7,9,13,22H,4,8,10-12,14H2,1-2H3/b19-18+