N-(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide

Systemtic Name: N-(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide Openeye Name: N-(6-chlorothiochroman-4-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide CAS Name: N-(6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide IUPAC Name: N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide Traditional Name: N-(6-chlorothiochroman-4-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide Formula: C19H17ClN4OS MolecularWeight: 384.88248

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C1NC(=O)C3=CC=C(C=C3)CN4C=NC=N4)C=C(C=C2)Cl

Isomeric SMILES

C1CSC2=C(C1NC(=O)C3=CC=C(C=C3)CN4C=NC=N4)C=C(C=C2)Cl

InChI

InChI=1S/C19H17ClN4OS/c20-15-5-6-18-16(9-15)17(7-8-26-18)23-19(25)14-3-1-13(2-4-14)10-24-12-21-11-22-24/h1-6,9,11-12,17H,7-8,10H2,(H,23,25)