4-[[4-azanyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6-chloranyl-7-ethyl-chromen-2-one

Systemtic Name: 4-[[4-azanyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6-chloranyl-7-ethyl-chromen-2-one Openeye Name: 4-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6-chloro-7-ethyl-chromen-2-one CAS Name: 4-[[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-6-chloro-7-ethyl-1-benzopyran-2-one IUPAC Name: 4-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6-chloro-7-ethylchromen-2-one Traditional Name: 4-[[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-6-chloro-7-ethyl-coumarin Formula: C21H19ClN4O3S MolecularWeight: 442.91856

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=C(N3N)C4=CC=C(C=C4)OC)Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=C(N3N)C4=CC=C(C=C4)OC)Cl

InChI

InChI=1S/C21H19ClN4O3S/c1-3-12-8-18-16(10-17(12)22)14(9-19(27)29-18)11-30-21-25-24-20(26(21)23)13-4-6-15(28-2)7-5-13/h4-10H,3,11,23H2,1-2H3