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

Systemtic Name: 4-[[4-azanyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6-chloranyl-7-methyl-chromen-2-one Openeye Name: 4-[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6-chloro-7-methyl-chromen-2-one CAS Name: 4-[[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-6-chloro-7-methyl-1-benzopyran-2-one IUPAC Name: 4-[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-6-chloro-7-methylchromen-2-one Traditional Name: 4-[[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]-6-chloro-7-methyl-coumarin Formula: C20H17ClN4O3S MolecularWeight: 428.89198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=C(N3N)C4=CC=CC=C4OC)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=NN=C(N3N)C4=CC=CC=C4OC)Cl

InChI

InChI=1S/C20H17ClN4O3S/c1-11-7-17-14(9-15(11)21)12(8-18(26)28-17)10-29-20-24-23-19(25(20)22)13-5-3-4-6-16(13)27-2/h3-9H,10,22H2,1-2H3