3-[4-methyl-3-(3-methylbutylsulfanyl)-1H-1,2,4-triazol-5-ylidene]indole

Systemtic Name: 3-[4-methyl-3-(3-methylbutylsulfanyl)-1H-1,2,4-triazol-5-ylidene]indole Openeye Name: 3-(3-isopentylsulfanyl-4-methyl-1H-1,2,4-triazol-5-ylidene)indole CAS Name: 3-[4-methyl-3-(3-methylbutylthio)-1H-1,2,4-triazol-5-ylidene]indole IUPAC Name: 3-[4-methyl-3-(3-methylbutylsulfanyl)-1H-1,2,4-triazol-5-ylidene]indole Traditional Name: 3-[3-(isoamylthio)-4-methyl-1H-1,2,4-triazol-5-ylidene]indole Formula: C16H20N4S MolecularWeight: 300.4218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=NNC(=C2C=NC3=CC=CC=C32)N1C

Isomeric SMILES

CC(C)CCSC1=NNC(=C2C=NC3=CC=CC=C32)N1C

InChI

InChI=1S/C16H20N4S/c1-11(2)8-9-21-16-19-18-15(20(16)3)13-10-17-14-7-5-4-6-12(13)14/h4-7,10-11,18H,8-9H2,1-3H3